1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide

C25H37N3O2 — CID 25386243

IUPAC1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)C2(C(N)=O)CC2)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O2/c1-19-6-2-3-7-21(19)12-17-27-15-10-20(11-16-27)18-28(22-8-4-5-9-22)24(30)25(13-14-25)23(26)29/h2-3,6-7,20,22H,4-5,8-18H2,1H3,(H2,26,29)
InChIKeyGZPHCFPWDGDLPU-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.29
Rot. Bonds8

About 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide

1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 25386243) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
PubChem CID25386243
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)C2(C(N)=O)CC2)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O2/c1-19-6-2-3-7-21(19)12-17-27-15-10-20(11-16-27)18-28(22-8-4-5-9-22)24(30)25(13-14-25)23(26)29/h2-3,6-7,20,22H,4-5,8-18H2,1H3,(H2,26,29)
InChIKeyGZPHCFPWDGDLPU-UHFFFAOYSA-N
XLogP3.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
1-N'-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 42564854
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
CID 45206163
N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
(2R)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97279230
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425
N-cyclopentyl-4,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45221890
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N,1-dimethyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 25381076
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide (CID 25386243) is 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide is Cc1ccccc1CCN1CCC(CN(C(=O)C2(C(N)=O)CC2)C2CCCC2)CC1.
What is the InChIKey of 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GZPHCFPWDGDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-19-6-2-3-7-21(19)12-17-27-15-10-20(11-16-27)18-28(22-8-4-5-9-22)24(30)25(13-14-25)23(26)29/h2-3,6-7,20,22H,4-5,8-18H2,1H3,(H2,26,29).
What are the key properties of 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide?
1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 25386243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).